☆22May 5, 2023Updated 2 years ago
Alternatives and similar repositories for SolProp_ML
Users that are interested in SolProp_ML are comparing it to the libraries listed below
Sorting:
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆29Oct 24, 2025Updated 4 months ago
- EntropyScaling.jl provides methods for modeling transport properties (viscosity, thermal conductivity, diffusion coefficients) based on …☆15Feb 13, 2026Updated 2 weeks ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- ☆10Apr 22, 2019Updated 6 years ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Sep 13, 2018Updated 7 years ago
- Model-based clustering package for mixed data☆13Jun 16, 2025Updated 8 months ago
- ☆13Nov 29, 2024Updated last year
- A library for solving POMDPs☆11Apr 15, 2025Updated 10 months ago
- AsynchroNous Disk-based Representation of MassivE DAta: An R package aimed at replacing ff for storing large data objects.☆11Nov 21, 2025Updated 3 months ago
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆13Oct 4, 2021Updated 4 years ago
- Non Metric Space ( Approximate ) Library in R☆12Feb 2, 2023Updated 3 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 4 years ago
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆11May 30, 2024Updated last year
- ☆12Nov 28, 2025Updated 3 months ago
- ☆11Oct 23, 2025Updated 4 months ago
- Solv@TUM - The Solvation Free Energy Database☆13Mar 31, 2024Updated last year
- The Databionic swarm is an unsupervised machine learning method for cluster analysis and the visualization of structures of high-dimensio…☆12May 15, 2024Updated last year
- ☆10Sep 25, 2019Updated 6 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- A deep learning solvation model☆13Aug 24, 2021Updated 4 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 5 years ago
- Core utilities for single-cell RNA-seq☆12Apr 13, 2025Updated 10 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆44Nov 16, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- ☆12Oct 21, 2018Updated 7 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- This is the 25 + 1 year anniversary version of the 1995 Rachford-Rice contest. Can you solve the Rachford-Rice problem for all these case…☆20Apr 5, 2022Updated 3 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- ☆15Jan 21, 2025Updated last year
- Clustering and Predictions with Multi-Task Gaussian Processes☆20Updated this week
- Light weight R package to do fast data splitting for cross-validation or train/valid/test splits☆13Apr 6, 2025Updated 10 months ago
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆15Jan 1, 2025Updated last year
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 6 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 4 years ago
- Gene orthologs for model organisms in a tidy data format☆14Sep 29, 2022Updated 3 years ago
- R package for multiblock analyses☆17Apr 1, 2025Updated 11 months ago
- My textbook on Biochemical Engineering☆19Mar 1, 2024Updated 2 years ago
- Extra datasets for torch☆17Mar 11, 2025Updated 11 months ago
- ☆13Jul 11, 2017Updated 8 years ago